vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 09 27 
  14:17:34 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      242.67600000
        1.30000000      1.41000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08237638       0.08427750       0.20041954 
          0.29291401       0.18815856       0.84134757 
          0.08237638       0.08427750       0.52677179 
          0.24904305       0.25094417       0.47238037 
          0.08237638       0.08427750       0.41798896 
          0.24904305       0.25094417       0.58116320 
          0.09884221       0.06692195       0.73212585 
          0.24904305       0.25094417       0.25481408 
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          0.24904305       0.25094417       0.68994603 
          0.08237638       0.08427750       0.63555462 
          0.24904305       0.25094417       0.36359754 
          0.08237638       0.41761084       0.20041954 
          0.10029923       0.40009342       0.82630373 
          0.08237638       0.41761084       0.52677179 
          0.24904305       0.58427750       0.47238037 
          0.08237638       0.41761084       0.41798896 
          0.24904305       0.58427750       0.58116320 
          0.19649483       0.53737776       0.76305959 
          0.24904305       0.58427750       0.25481408 
          0.08237638       0.41761084       0.30920613 
          0.24904305       0.58427750       0.68994603 
          0.08237638       0.41761084       0.63555462 
          0.24904305       0.58427750       0.36359754 
          0.08237638       0.75094417       0.20041954 
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          0.24904305       0.91761084       0.58116320 
          0.99368927       0.77567431       0.74706838 
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          0.08237638       0.75094417       0.30920613 
          0.24904305       0.91761084       0.68994603 
          0.08237638       0.75094417       0.63555462 
          0.24904305       0.91761084       0.36359754 
          0.41570972       0.08427750       0.20041954 
          0.38754729       0.17195114       0.83072147 
          0.41570972       0.08427750       0.52677179 
          0.58237638       0.25094417       0.47238037 
          0.41570972       0.08427750       0.41798896 
          0.58237638       0.25094417       0.58116320 
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          0.58237638       0.25094417       0.25481408 
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          0.58237638       0.25094417       0.68994603 
          0.41570972       0.08427750       0.63555462 
          0.58237638       0.25094417       0.36359754 
          0.41570972       0.41761084       0.20041954 
          0.26314496       0.90220396       0.46690828 
          0.41570972       0.41761084       0.52677179 
          0.58237638       0.58427750       0.47238037 
          0.41570972       0.41761084       0.41798896 
          0.58237638       0.58427750       0.58116320 
          0.44358758       0.66474198       0.73085632 
          0.58237638       0.58427750       0.25481408 
          0.41570972       0.41761084       0.30920613 
          0.58237638       0.58427750       0.68994603 
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          0.41570972       0.75094417       0.41798896 
          0.58237638       0.91761084       0.58116320 
          0.82931357       0.33179830       0.30947110 
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          0.41570972       0.75094417       0.30920613 
          0.58237638       0.91761084       0.68994603 
          0.41570972       0.75094417       0.63555462 
          0.58237638       0.91761084       0.36359754 
          0.74904305       0.08427750       0.20041954 
          0.99721006       0.16845426       0.80325329 
          0.74904305       0.08427750       0.52677179 
          0.91570972       0.25094417       0.47238037 
          0.74904305       0.08427750       0.41798896 
          0.91570972       0.25094417       0.58116320 
          0.63158198       0.97232019       0.76212464 
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          0.74904305       0.08427750       0.30920613 
          0.91570972       0.25094417       0.68994603 
          0.74904305       0.08427750       0.63555462 
          0.91570972       0.25094417       0.36359754 
          0.74904305       0.41761084       0.20041954 
          0.99460849       0.77945880       0.83078702 
          0.74904305       0.41761084       0.52677179 
          0.91570972       0.58427750       0.47238037 
          0.74904305       0.41761084       0.41798896 
          0.91570972       0.58427750       0.58116320 
          0.88140464       0.28485961       0.84804524 
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          0.74904305       0.41761084       0.30920613 
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          0.74904305       0.41761084       0.63555462 
          0.91570972       0.58427750       0.36359754 
          0.74904305       0.75094417       0.20041954 
          0.97505765       0.87503316       0.84257085 
          0.74904305       0.75094417       0.52677179 
          0.91570972       0.91761084       0.47238037 
          0.74904305       0.75094417       0.41798896 
          0.91570972       0.91761084       0.58116320 
          0.50246632       0.72072724       0.73024675 
          0.91570972       0.91761084       0.25481408 
          0.74904305       0.75094417       0.30920613 
          0.91570972       0.91761084       0.68994603 
          0.74904305       0.75094417       0.63555462 
          0.91570972       0.91761084       0.36359754 
          0.00215643       0.15178129       0.21714847 
  
 
 
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        109 
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       242.67600000
       446.01400000
         0.00001000
       38
       10
      916
       -1
       -1
      1526.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        242.67600000
    
      T  
      F  
           0.00000000
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       36
       36
      112
       72
       72
      224
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.30000000      1.41000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        95.94000000    118.71000000
         0.00000000      0.00000000
         1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        13.99468800
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       109 
         2 
  
   ion
   element
   atomtype
   
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Sn   2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     108Mo     95.94000000     14.00000000  PAW_PBE Mo_sv 02Feb2006               
       1Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
   
  
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08237638       0.08427750       0.20041954 
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          0.08237638       0.08427750       0.52677179 
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          0.08237638       0.08427750       0.41798896 
          0.24904305       0.25094417       0.58116320 
          0.09884221       0.06692195       0.73212585 
          0.24904305       0.25094417       0.25481408 
          0.08237638       0.08427750       0.30920613 
          0.24904305       0.25094417       0.68994603 
          0.08237638       0.08427750       0.63555462 
          0.24904305       0.25094417       0.36359754 
          0.08237638       0.41761084       0.20041954 
          0.10029923       0.40009342       0.82630373 
          0.08237638       0.41761084       0.52677179 
          0.24904305       0.58427750       0.47238037 
          0.08237638       0.41761084       0.41798896 
          0.24904305       0.58427750       0.58116320 
          0.19649483       0.53737776       0.76305959 
          0.24904305       0.58427750       0.25481408 
          0.08237638       0.41761084       0.30920613 
          0.24904305       0.58427750       0.68994603 
          0.08237638       0.41761084       0.63555462 
          0.24904305       0.58427750       0.36359754 
          0.08237638       0.75094417       0.20041954 
          0.29097651       0.87678500       0.20035612 
          0.08237638       0.75094417       0.52677179 
          0.24904305       0.91761084       0.47238037 
          0.08237638       0.75094417       0.41798896 
          0.24904305       0.91761084       0.58116320 
          0.99368927       0.77567431       0.74706838 
          0.24904305       0.91761084       0.25481408 
          0.08237638       0.75094417       0.30920613 
          0.24904305       0.91761084       0.68994603 
          0.08237638       0.75094417       0.63555462 
          0.24904305       0.91761084       0.36359754 
          0.41570972       0.08427750       0.20041954 
          0.38754729       0.17195114       0.83072147 
          0.41570972       0.08427750       0.52677179 
          0.58237638       0.25094417       0.47238037 
          0.41570972       0.08427750       0.41798896 
          0.58237638       0.25094417       0.58116320 
          0.38983481       0.17754587       0.74638048 
          0.58237638       0.25094417       0.25481408 
          0.41570972       0.08427750       0.30920613 
          0.58237638       0.25094417       0.68994603 
          0.41570972       0.08427750       0.63555462 
          0.58237638       0.25094417       0.36359754 
          0.41570972       0.41761084       0.20041954 
          0.26314496       0.90220396       0.46690828 
          0.41570972       0.41761084       0.52677179 
          0.58237638       0.58427750       0.47238037 
          0.41570972       0.41761084       0.41798896 
          0.58237638       0.58427750       0.58116320 
          0.44358758       0.66474198       0.73085632 
          0.58237638       0.58427750       0.25481408 
          0.41570972       0.41761084       0.30920613 
          0.58237638       0.58427750       0.68994603 
          0.41570972       0.41761084       0.63555462 
          0.58237638       0.58427750       0.36359754 
          0.41570972       0.75094417       0.20041954 
          0.77356656       0.06953755       0.82696564 
          0.41570972       0.75094417       0.52677179 
          0.58237638       0.91761084       0.47238037 
          0.41570972       0.75094417       0.41798896 
          0.58237638       0.91761084       0.58116320 
          0.82931357       0.33179830       0.30947110 
          0.58237638       0.91761084       0.25481408 
          0.41570972       0.75094417       0.30920613 
          0.58237638       0.91761084       0.68994603 
          0.41570972       0.75094417       0.63555462 
          0.58237638       0.91761084       0.36359754 
          0.74904305       0.08427750       0.20041954 
          0.99721006       0.16845426       0.80325329 
          0.74904305       0.08427750       0.52677179 
          0.91570972       0.25094417       0.47238037 
          0.74904305       0.08427750       0.41798896 
          0.91570972       0.25094417       0.58116320 
          0.63158198       0.97232019       0.76212464 
          0.91570972       0.25094417       0.25481408 
          0.74904305       0.08427750       0.30920613 
          0.91570972       0.25094417       0.68994603 
          0.74904305       0.08427750       0.63555462 
          0.91570972       0.25094417       0.36359754 
          0.74904305       0.41761084       0.20041954 
          0.99460849       0.77945880       0.83078702 
          0.74904305       0.41761084       0.52677179 
          0.91570972       0.58427750       0.47238037 
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